Basic information
- Standard SMILES
CC(C)(C)CNc1noc2ccc(-c3cccc(C=O)c3)cc12- InChIKey
SIRROMIYIVRPPM-UHFFFAOYSA-N- Molecular formula
- C19H20N2O2
- Average molar mass
- 308.4 g/mol
Names & identifiers
- Preferred name
- 3-(3-(Neopentylamino)benzo[d]isoxazol-5-yl)benzaldehyde
- IUPAC
- 3-[3-(2,2-dimethylpropylamino)-1,2-benzoxazol-5-yl]benzaldehyde
Names & synonyms
SCHEMBL2197687SIRROMIYIVRPPM-UHFFFAOYSA-N3-(3-(neopentylamino)benzo[d]isoxazol-5-yl)benzaldehyde
Database identifiers
- PubChem CID
- 11965796
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Related reactions
2 records
Compound notes
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